CHEMISORPTION OF A P-ADSORBATE ON PEROVSKITES

Date

1994-01-01

Author

KOKTEN, H
Ellialtıoğlu, Süleyman Şinasi

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

33
views

0
downloads

The chemisorption of an oxygen adatom on the (001) surface of a perovskite crystal is examined parametrically. An empirical tight-binding method is used in the calculations. The adatom is assumed to chemisorb in a head-on position to the surface cation and the effects of the following parameters are investigated: the orbital interaction V(p) between adatom and surface cation, the difference DELTAE(d) in the self-energies of a surface cation and a bulk one, and the local perturbation DELTAw0 on the self-energy of the surface cation that participated in the chemisorption bond. As a result of chemisorption the oxygen adatom shares the delocalized surface states of the perovskite, and in addition to that two peaks appear next to the surface states, one below the surface band being a bonding state and one above it, being an antibonding state. The change in chemisorption energy with the adatom-surface interaction strength has been investigated.

Subject Keywords

Oxide Surfaces, Srtio3, Adsorption, Water, Bands, O-2

URI

https://hdl.handle.net/11511/56326

Journal

PHYSICA B

DOI

https://doi.org/10.1016/0921-4526(94)90050-7

Collections

Graduate School of Natural and Applied Sciences, Article

Suggestions

OpenMETU
Core

Radiative Donor-Acceptor Pair Recombination in Tl2Ga2Se3S Layered Single Crystals Hasanlı, Nızamı (2013-07-01) The emission band spectra of Tl2Ga2Se3S layered crystals have been studied in the temperature range of 10-50 K and in the wavelength region of 540-700 nm. A broad photoluminescence band centered at 626 nm (1.98 eV) was observed at T = 10 K. Variation of emission band has been studied as a function of excitation laser intensity in the 0.4-51.5 mW cm(-2) range. The analysis of the spectra reveals that the peak energy position changes with laser excitation intensity (blue shift). This behavior of the emission ...
Thermodynamic properties of 1 x MgCl2 xCaCl2 melts Karakaya, İshak (1986-01-01) An electrochemical formation cell was used to measure the partial molar thermodynamic properties of MgCl2 in {(1−x)MgCl2 + xCaCl2}(1). The results indicate that the melt is nearly ideal in the Raoultian (or Temkin) sense. A classical-thermodynamics analysis of the results was used to construct the T(x) phase diagram which was found to be in good agreement with the accepted diagram.
BIOACTIVITY OF APATITE-WOLLASTONITE GLASS-CERAMICS PRODUCED BY MELTING CASTING PARK, JONGEE; Öztürk, Abdullah (World Scientific Pub Co Pte Lt, 2013-02-01) Glass-ceramics containing only apatite and wollastonite crystals were produced in the system MgO-CaO-SiO2-P2O5-F by the melt casting process. The bioactivity of the glass-ceramics was determined by immersing the glass-ceramics in a simulated body fluid (SBF) and by assessing the resulting apatite formation on the free surface after various immersion durations. A 12-mu m-thick apatite layer formed on the surface of the glass-ceramic containing only apatite crystals after 20 days immersion in SBF. However, th...
Composition dependence of lattice parameters and band gap energies of thallium based layered mixed crystals Hasanlı, Nızamı (2015-07-01) Compositional dependence of lattice parameters and unit cell volumes of TlMeX2-type (Me = Ga or In and X = S or Se) layered mixed crystals with monoclinic structure has been studied by X-ray diffraction technique. It is revealed that the lattice parameters of TlGa1-xInxSe2, TlGa(S1-xSex)(2), TlGa1-xInxS2 and TlIn(Se1-xSx)(2) mixed crystals increase due to the substitution of gallium atoms by indium and sulfur atoms by selenium. Moreover, the absorption edges of these mixed crystals have been investigated th...
Synthesis of CuO nanostructures on zeolite-Y and investigation of their CO2 adsorption properties Boruban, Cansu; Nalbant Esentürk, Emren (2017-10-01) Copper(II) oxide (CuO) nanoparticles (NPs) in two different morphologies, spiky and spherical, were synthesized on zeolite-Y by a modified impregnation method, and their CO2 adsorbing capabilities were investigated under standard conditions (1 atm and 298 K). The properties and CO2 adsorption performances of the hybrid systems were characterized by transmission electron microscopy, scanning electron microscopy, energy dispersive X-ray, X-ray diffraction, X-ray photoelectron spectroscopy, atomic absorption s...

Citation Formats

H. KOKTEN and S. Ş. Ellialtıoğlu, “CHEMISORPTION OF A P-ADSORBATE ON PEROVSKITES,” PHYSICA B, pp. 39–44, 1994, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56326.